4LWL

Crystal structure of methionine sulfoxide reductase U16C/E55A from clostridium oremlandii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-30
Detector	ADSC QUANTUM 210
Spacegroup name	P 32 2 1
Unit cell lengths	81.240, 81.240, 66.923
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.710 - 1.600
R-factor	0.199
Rwork	0.197
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lwj
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	33211
Completeness [%]	98.4	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M MES, 30%(V/V) PEG 5000, 0.2M AMMONIUM SULFATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K